SCHEMBL5610129

SCHEMBL5610129

[O]CCc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.40
RIPK1 Q13546 1/20 0.39
AKR1B1 P15121 1/20 0.38
CXCR2 P25025 3/20 0.37
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 2/20 0.34
AOC3 Q16853 1/20 0.34
MPO P05164 1/20 0.33
MAOB P27338 1/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7052559 0.85 TAAR1 (0.48) TAAR1CES2CES1BCHERIPK1
SCHEMBL21312964 0.82 TAAR1 (0.41) TAAR1CES2CES1BCHERIPK1
SCHEMBL31675131 0.81 RIPK1 (0.49) TAAR1CES2CES1BCHERIPK1
SCHEMBL266645 0.81 RIPK1 (0.49) TAAR1CES2CES1BCHERIPK1
SCHEMBL424618 0.81 CES2 (0.43) TAAR1CES2CES1BCHERIPK1
SCHEMBL1045937 0.81 TAAR1 (0.62) TAAR1LMNAIDO1AOC3MPO
SCHEMBL2210035 0.79 TAAR1 (0.67) TAAR1IDO1AOC3MPOMAOB
SCHEMBL17748504 0.79 TAAR1 (0.48) TAAR1CES2CES1BCHERIPK1
SCHEMBL31061956 0.79 TAAR1 (0.67) TAAR1IDO1AOC3MPOMAOB
SCHEMBL16415025 0.78 DAO (0.44) TAAR1LMNAMPO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885CES2 718/4885CES1 33/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885CES2 718/4885CES1 33/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CES2 1135/4885CES1 456/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TAAR1 3666/4885CES2 1135/4885CES1 456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.